NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3627 8.3049 120.3479 55.0818 33.3831 174.7592 2 L 4.1158 8.3442 126.0495 52.4201 42.1849 175.7477 3 T 3.9324 8.7130 115.0441 64.2791 70.1090 174.1766 4 D 4.4686 7.6823 120.9254 50.9216 42.6577 172.9424 5 P 4.1917 0.0000 0.0000 65.7245 31.4549 178.1907 6 I 3.5469 7.7610 117.5030 64.2723 36.9607 178.2385 7 A 3.9202 8.1202 121.5646 54.7453 18.0974 179.2160 8 D 4.1654 7.9628 116.8349 57.6828 41.3402 178.1754 9 M 3.9168 8.3551 118.9913 58.4932 32.2370 177.9205 10 L 3.8298 7.8447 119.1178 58.1776 41.7527 179.6559 11 T 3.7166 7.9827 115.3764 66.7987 68.3639 176.5892 12 R 3.8513 8.1829 120.3101 59.6522 30.0300 179.0689 13 I 3.6082 7.6993 119.0394 64.3790 36.9244 178.3264 14 R 3.7477 8.0734 118.4353 59.5636 29.9544 178.0263 15 N 4.4169 9.0224 116.8305 56.1934 38.6164 177.2798 16 A 4.0125 8.1670 122.6402 55.4248 18.5638 179.7697 17 T 4.0216 8.2392 108.3911 64.5636 68.7171 176.8669 18 R 3.8249 7.5033 120.5951 58.0585 30.0635 177.1858 19 V 4.3262 7.2478 109.2471 60.6509 32.2170 174.7305 20 Y 3.5177 7.0965 115.1550 58.0061 35.4804 170.4365 21 K 4.2278 8.0748 118.2108 56.8095 33.2062 177.1904 22 E 4.4510 8.9172 120.3535 58.3644 30.2477 175.1779 23 S 5.3857 7.2591 111.1844 57.8617 66.4235 171.9040 24 T 4.1083 7.3271 110.5550 62.2929 71.3215 173.1873 25 D 5.1753 8.9334 129.1943 54.2545 42.6988 176.3733 26 V 4.4939 8.2986 118.5289 60.0110 34.5390 171.1710 27 P 3.5695 0.0000 0.0000 62.8677 31.7339 175.5534 28 A 4.5850 7.9534 125.5146 51.1001 20.2165 177.1469 29 S 4.5690 8.2582 114.1608 55.6516 66.4621 174.8930 30 R 3.9191 9.0641 123.5715 59.7600 29.8449 178.6146 31 F 4.4807 8.3813 119.4317 61.6098 39.1810 177.1251 32 K 3.6579 8.4601 118.1451 59.3771 31.8202 179.0705 33 E 3.6595 8.2107 118.8839 59.3060 29.2122 178.9681 34 E 4.0254 8.7410 118.8996 59.7538 29.5488 179.7238 35 I 3.6346 7.6867 119.1631 64.4162 37.1119 178.1744 36 L 3.7911 7.8721 120.1944 58.0898 41.3497 179.6698 37 R 4.2413 8.0196 117.5704 59.6571 30.0046 179.1266 38 I 3.7398 7.3730 118.5761 64.3688 37.0823 178.1521 39 L 4.2237 8.1851 119.9315 58.4026 41.4404 179.2852 40 A 4.2361 9.0262 121.4561 54.9275 18.1201 179.1792 41 R 3.9788 8.6460 116.7898 59.8161 30.3764 178.3788 42 E 4.0648 8.8520 115.4712 56.3199 30.3329 176.4048 43 G 3.6572 8.6279 107.6860 46.6969 0.0000 174.1602 44 F 4.8504 8.4585 115.7849 57.2971 41.2255 177.0459 45 I 4.6519 7.5904 113.0290 59.1131 40.2816 174.9501 46 K 4.3108 8.0231 125.1707 57.6988 33.0207 177.0316 47 G 4.2505 7.5969 108.0789 46.5425 0.0000 170.8448 48 Y 5.2070 7.5747 120.8240 56.7875 39.9805 172.7378 49 E 4.5513 8.3789 118.6592 54.7680 33.9059 175.5444 50 R 4.7947 8.2391 119.1924 55.0472 28.2630 176.4910 51 V 3.9301 7.7524 122.9867 62.8836 33.9684 174.6678 52 D 4.9903 8.3922 122.4046 52.2165 42.5051 174.5954 53 V 3.5376 8.2576 122.8593 63.5421 32.5328 175.7004 54 D 4.3259 9.6189 127.4519 55.6145 39.4151 173.5231 55 G 4.0262 8.2952 101.6199 45.9061 0.0000 173.0861 56 K 4.6305 8.2482 118.9586 53.0496 34.9126 174.3207 57 P 4.3937 0.0000 0.0000 64.2104 31.9721 174.9330 58 Y 4.8600 8.4742 121.2365 56.9409 41.9867 175.5309 59 L 5.1075 8.4676 118.0893 53.4229 43.9423 175.5663 60 R 3.9328 8.6020 121.7521 56.7907 31.5667 175.3828 61 V 4.3977 8.2260 122.6151 61.1720 33.8852 174.2083 62 Y 4.6358 8.5117 127.3990 57.5135 38.4637 175.8067 63 L 4.2589 8.5324 125.0348 54.2778 42.8909 176.5383 64 K 4.7428 7.9596 118.6071 55.1832 36.1984 174.7636 65 Y 4.7796 8.2328 118.1835 56.7709 42.9485 174.8248 66 G 4.2613 8.8712 112.4087 45.3047 0.0000 171.1934 67 P 4.9857 0.0000 0.0000 60.5499 34.4102 175.0314 68 R 3.9857 8.5596 120.7784 57.6408 30.5139 175.5656 69 R 4.6974 8.1716 123.5791 54.5362 33.2018 175.4249 70 Q 4.3010 8.6292 119.0753 55.3838 30.4372 177.6297 71 G 3.8253 8.4529 107.1102 45.2466 0.0000 171.2287 72 P 4.1261 0.0000 0.0000 63.9491 31.6909 174.0897 73 D 4.2147 8.5269 124.0251 54.2208 38.5676 170.5509 74 P 4.7423 0.0000 0.0000 62.1879 31.8624 176.4396 75 R 3.9568 7.5434 118.9419 55.9804 30.1500 175.0616 76 P 4.6625 0.0000 0.0000 62.1747 32.4887 175.5743 77 E 4.4451 8.8142 122.6942 56.2706 31.6974 174.6269 78 Q 4.9389 8.3059 119.5608 54.1610 30.3596 176.8144 79 V 3.8265 8.6363 123.2722 65.5573 31.9505 176.5880 80 I 4.3507 7.2485 121.4270 59.5040 35.2718 174.8489 81 H 3.9340 8.1965 121.0457 58.2380 29.0462 177.7074 82 H 3.8949 6.8756 123.3477 54.7822 31.1412 175.2576 83 I 5.1616 5.8647 134.0190 61.0286 38.1148 171.4781 84 R 4.4568 6.9684 125.3924 53.9657 33.0147 174.0386 85 R 4.1233 8.2832 124.8931 55.9202 30.4532 174.7988 86 I 4.0316 8.4487 129.5596 62.7748 36.6829 176.0068 87 S 4.2060 7.4855 120.3665 59.1379 63.3162 174.0593 88 K 4.6495 8.5684 124.1357 53.7478 36.2133 174.4470 89 P 4.1313 0.0000 0.0000 64.4221 31.3759 175.1149 90 G 3.5998 9.2856 112.3343 44.5617 0.0000 172.9423 91 R 4.3267 7.9996 127.4379 57.5384 27.7498 175.1335 92 R 4.2973 7.3819 117.8490 55.6981 31.6787 176.7270 93 V 4.2413 8.1026 120.2866 61.4349 34.1782 173.8306 94 Y 5.4156 8.6881 124.9965 56.3637 40.8886 175.5870 95 V 4.5913 9.0657 115.4822 59.5285 36.0374 175.7259 96 G 4.1608 8.8182 112.2822 44.3198 0.0000 175.2271 97 V 3.3240 8.4781 120.2067 64.4844 31.1630 178.3333 98 K 4.1557 8.0312 117.2312 58.2408 32.7257 176.9606 99 E 4.5240 8.6247 118.9664 56.0461 30.4982 176.3514 100 I 3.8272 7.2671 120.7881 60.6331 37.6008 174.2892 101 P 4.4810 0.0000 0.0000 62.4086 32.0961 176.7467 102 R 4.2096 8.0750 117.3568 54.1000 28.6338 174.5728 103 V 3.3779 8.1155 124.4509 64.2224 32.0008 175.3225 104 R 3.5343 8.6958 129.3046 59.8487 28.2765 176.4474 105 R 3.5610 8.5532 118.1512 57.4677 27.8248 177.7257 106 G 3.9657 7.8544 103.3464 46.2450 0.0000 173.5112 107 L 4.1751 8.4087 119.1803 56.1619 41.8855 176.6055 108 G 4.6618 7.7774 104.6350 44.4606 0.0000 171.7956 109 I 4.8663 8.6223 113.6437 59.1562 40.9311 175.2602 110 A 5.2878 8.2874 120.3334 50.3168 19.7859 175.2167 111 I 3.9295 7.6750 121.6287 60.9065 38.9604 175.4961 112 L 4.8161 8.6546 124.4214 54.8020 44.2995 173.8698 113 S 5.1454 8.8778 116.2247 57.3390 64.4585 173.0108 114 T 5.1779 8.6675 116.0821 59.6585 72.5763 174.4904 115 S 4.3781 8.8449 114.0872 59.4864 63.1624 174.6258 116 K 4.3172 8.1545 120.1268 56.2385 32.2580 176.6360 117 G 3.7767 8.0986 107.5975 44.1426 0.0000 172.2041 118 V 4.6565 7.9954 118.8341 62.0463 32.0716 175.7647 119 L 4.9462 8.9135 127.4357 54.1015 44.3396 175.6161 120 T 4.4176 8.7691 111.0378 61.5936 69.8582 174.6962 121 D 4.4011 8.2882 123.7418 56.6997 39.0610 178.9155 122 R 3.8952 7.9744 118.8262 59.1049 30.2004 178.3406 123 E 3.9501 8.1199 117.6543 59.5623 29.5762 179.2706 124 A 3.9609 8.3047 120.7636 55.3029 18.4768 179.3700 125 R 3.8263 8.2960 117.2615 59.5445 29.8894 178.1984 126 K 3.8500 8.4359 118.1391 59.7763 32.2488 177.9786 127 L 4.3473 8.2270 115.4497 53.7404 42.3450 177.1505 128 G 4.0634 8.4209 107.5589 46.5421 0.0000 173.3038 129 V 4.5506 8.0265 108.6604 59.5325 36.3346 175.6483 130 G 4.3972 8.9932 109.7203 45.3302 0.0000 171.9050 131 G 4.5635 7.3166 103.4677 45.7968 0.0000 170.8659 132 E 4.2644 8.2733 121.7185 55.5699 30.8792 178.5555 133 L 4.5359 9.0498 132.0496 57.7343 40.0902 177.7567 134 I 3.6394 6.9745 124.5538 61.6460 38.0972 177.3438 135 C 4.9429 8.2267 114.0637 57.5824 33.7035 171.1953 136 E 4.8880 9.0106 118.8165 54.6221 32.7923 174.6562 137 V 4.6272 8.5065 125.2480 61.1008 35.7418 174.9660 138 W 4.5081 7.9349 122.4364 57.3423 27.4108 174.0713 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.36 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 8.34 4.12 0.00 1.73 1.57 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.71 3.93 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 D 7.68 4.47 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.19 0.00 2.15 2.05 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 I 7.76 3.55 1.76 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.45 0.69 0.00 0.00 7 A 8.12 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.96 4.17 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.36 3.92 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 10 L 7.84 3.83 0.00 1.75 1.57 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.98 3.72 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 12 R 8.18 3.85 0.00 2.01 1.98 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 I 7.70 3.61 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.80 0.00 0.00 14 R 8.07 3.75 0.00 1.71 1.95 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 15 N 9.02 4.42 0.00 2.81 2.80 0.00 0.00 6.90 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.17 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.24 4.02 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 18 R 7.50 3.82 0.00 1.92 1.93 0.00 3.26 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 19 V 7.25 4.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.02 0.00 0.00 20 Y 7.10 3.52 0.00 3.04 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.07 4.23 0.00 1.85 1.93 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.54 7.81 22 E 8.92 4.45 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 23 S 7.26 5.39 0.00 3.33 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.33 4.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 25 D 8.93 5.18 0.00 2.54 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.30 4.49 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.83 0.00 0.00 27 P 0.00 3.57 0.00 1.72 1.60 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 28 A 7.95 4.58 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.26 4.57 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 9.06 3.92 0.00 1.92 2.10 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 31 F 8.38 4.48 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.46 3.66 0.00 1.83 1.65 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.29 7.81 33 E 8.21 3.66 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 34 E 8.74 4.03 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 35 I 7.69 3.63 1.77 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.79 0.00 0.00 36 L 7.87 3.79 0.00 1.21 1.09 0.35 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.02 4.24 0.00 2.17 2.08 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 38 I 7.37 3.74 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 1.00 0.00 0.00 39 L 8.19 4.22 0.00 1.80 1.83 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.03 4.24 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.65 3.98 0.00 1.88 2.16 0.00 3.29 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 42 E 8.85 4.06 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 43 G 8.63 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.46 4.85 0.00 3.20 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.59 4.65 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.93 0.00 0.00 46 K 8.02 4.31 0.00 2.05 1.97 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.62 7.81 47 G 7.60 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.57 5.21 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.38 4.55 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 50 R 8.24 4.79 0.00 1.77 2.00 0.00 3.26 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 51 V 7.75 3.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.00 0.00 0.00 52 D 8.39 4.99 0.00 2.56 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.26 3.54 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.61 0.00 0.00 54 D 9.62 4.33 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.30 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.25 4.63 0.00 2.04 1.81 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.55 7.81 57 P 0.00 4.39 0.00 2.08 2.23 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 58 Y 8.47 4.86 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.47 5.11 0.00 1.48 1.59 0.77 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.60 3.93 0.00 1.62 1.25 0.00 3.15 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 61 V 8.23 4.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 62 Y 8.51 4.64 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.53 4.26 0.00 1.45 1.19 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.96 4.74 0.00 1.51 1.64 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.47 7.81 65 Y 8.23 4.78 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.87 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.99 0.00 2.13 2.19 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 68 R 8.56 3.99 0.00 1.80 1.88 0.00 3.15 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 69 R 8.17 4.70 0.00 1.72 1.85 0.00 3.24 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 70 Q 8.63 4.30 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 71 G 8.45 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.13 0.00 2.19 2.07 0.00 3.91 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 73 D 8.53 4.21 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.74 0.00 2.19 2.20 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 75 R 7.54 3.96 0.00 1.79 1.79 0.00 3.46 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.43 0.00 76 P 0.00 4.66 0.00 2.14 2.25 0.00 2.62 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 77 E 8.81 4.45 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 78 Q 8.31 4.94 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 79 V 8.64 3.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.97 0.00 0.00 80 I 7.25 4.35 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.66 0.00 0.00 81 H 8.20 3.93 0.00 2.86 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 6.88 3.89 0.00 1.40 1.31 0.00 6.07 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 5.86 5.16 1.51 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.14 0.64 0.00 0.00 84 R 6.97 4.46 0.00 1.74 1.72 0.00 3.21 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 85 R 8.28 4.12 0.00 1.77 1.75 0.00 3.36 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 86 I 8.45 4.03 2.09 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.88 0.00 0.00 87 S 7.49 4.21 0.00 3.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.57 4.65 0.00 1.72 1.61 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.55 7.81 89 P 0.00 4.13 0.00 2.17 2.08 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 90 G 9.29 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.00 4.33 0.00 1.86 2.25 0.00 3.32 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 92 R 7.38 4.30 0.00 1.89 1.43 0.00 3.19 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 93 V 8.10 4.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.91 0.00 0.00 94 Y 8.69 5.42 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 9.07 4.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.04 0.00 0.00 96 G 8.82 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.48 3.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.99 0.00 0.00 98 K 8.03 4.16 0.00 1.89 1.99 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.47 7.81 99 E 8.62 4.52 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 100 I 7.27 3.83 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.94 0.00 0.00 101 P 0.00 4.48 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 102 R 8.07 4.21 0.00 1.92 2.01 0.00 3.02 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 103 V 8.12 3.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.07 0.00 0.00 104 R 8.70 3.53 0.00 1.47 1.56 0.00 2.21 0.00 0.00 2.67 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.00 105 R 8.55 3.56 0.00 1.84 1.95 0.00 3.53 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 106 G 7.85 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.41 4.18 0.00 1.61 1.74 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.78 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.62 4.87 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 1.17 0.00 0.00 110 A 8.29 5.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.68 3.93 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.94 0.00 0.00 112 L 8.65 4.82 0.00 1.94 1.86 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.88 5.15 0.00 3.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.67 5.18 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 115 S 8.84 4.38 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.15 4.32 0.00 1.78 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.36 7.81 117 G 8.10 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.00 4.66 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.11 0.00 0.00 119 L 8.91 4.95 0.00 1.80 1.83 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.77 4.42 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 121 D 8.29 4.40 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.97 3.90 0.00 1.87 2.03 0.00 3.32 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 123 E 8.12 3.95 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 124 A 8.30 3.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.30 3.83 0.00 2.00 2.13 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 126 K 8.44 3.85 0.00 1.84 2.06 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 127 L 8.23 4.35 0.00 1.62 1.69 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.42 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.03 4.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 130 G 8.99 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.32 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.27 4.26 0.00 2.18 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.93 0.00 133 L 9.05 4.54 0.00 1.70 1.52 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 134 I 6.97 3.64 2.08 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.58 0.87 0.00 0.00 135 C 8.23 4.94 0.00 3.17 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.01 4.89 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 137 V 8.51 4.63 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 138 W 7.93 4.51 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